CRIT: Graph-Based Automatic Data Synthesis to Enhance Cross-Modal Multi-Hop Reasoning

Real-world reasoning often requires combining information across modalities, connecting textual context with visual cues in a multi-hop process. Yet, most multimodal benchmarks fail to capture this ability: they typically rely on single images or set of images, where answers can be inferred from a single modality alone. This limitation is mirrored in the training data, where interleaved image-text content rarely enforces complementary, multi-hop reasoning. As a result, Vision-Language Models (VLMs) frequently hallucinate and produce reasoning traces poorly grounded in visual evidence. To address this gap, we introduce CRIT, a new dataset and benchmark built with a graph-based automatic pipeline for generating complex cross-modal reasoning tasks. CRIT consists of diverse domains ranging from natural images, videos, and text-rich sources, and includes a manually verified test set for reliable evaluation. Experiments on this benchmark reveal that even state-of-the-art models struggle on such reasoning tasks. Models trained on CRIT show significant gains in cross-modal multi-hop reasoning, including strong improvements on SPIQA and other standard multimodal benchmarks.

Crystalite: A Lightweight Transformer for Efficient Crystal Modeling

Generative models for crystalline materials often rely on equivariant graph neural networks, which capture geometric structure well but are costly to train and slow to sample. We present Crystalite, a lightweight diffusion Transformer for crystal modeling built around two simple inductive biases. The first is Subatomic Tokenization, a compact chemically structured atom representation that replaces high-dimensional one-hot encodings and is better suited to continuous diffusion. The second is the Geometry Enhancement Module (GEM), which injects periodic minimum-image pair geometry directly into attention through additive geometric biases. Together, these components preserve the simplicity and efficiency of a standard Transformer while making it better matched to the structure of crystalline materials. Crystalite achieves state-of-the-art results on crystal structure prediction benchmarks, and de novo generation performance, attaining the best S.U.N. discovery score among the evaluated baselines while sampling substantially faster than geometry-heavy alternatives.

GraphWalk: Enabling Reasoning in Large Language Models through Tool-Based Graph Navigation

The use of knowledge graphs for grounding agents in real-world Q&A applications has become increasingly common. Answering complex queries often requires multi-hop reasoning and the ability to navigate vast relational structures. Standard approaches rely on prompting techniques that steer large language models to reason over raw graph context, or retrieval-augmented generation pipelines where relevant subgraphs are injected into the context. These, however, face severe limitations with enterprise-scale KGs that cannot fit in even the largest context windows available today. We present GraphWalk, a problem-agnostic, training-free, tool-based framework that allows off-the-shelf LLMs to reason through sequential graph navigation, dramatically increasing performance across different tasks. Unlike task-specific agent frameworks that encode domain knowledge into specialized tools, GraphWalk equips the LLM with a minimal set of orthogonal graph operations sufficient to traverse any graph structure. We evaluate whether models equipped with GraphWalk can compose these operations into correct multi-step reasoning chains, where each tool call represents a verifiable step creating a transparent execution trace. We first demonstrate our approach on maze traversal, a problem non-reasoning models are completely unable to solve, then present results on graphs resembling real-world enterprise knowledge graphs. To isolate structural reasoning from world knowledge, we evaluate on entirely synthetic graphs with random, non-semantic labels. Our benchmark spans 12 query templates from basic retrieval to compound first-order logic queries. Results show that tool-based traversal yields substantial and consistent gains over in-context baselines across all model families tested, with gains becoming more pronounced as scale increases, precisely where in-context approaches fail catastrophically.

Universal Hypernetworks for Arbitrary Models

Conventional hypernetworks are typically engineered around a specific base-model parameterization, so changing the target architecture often entails redesigning the hypernetwork and retraining it from scratch. We introduce the \emph{Universal Hypernetwork} (UHN), a fixed-architecture generator that predicts weights from deterministic parameter, architecture, and task descriptors. This descriptor-based formulation decouples the generator architecture from target-network parameterization, so one generator can instantiate heterogeneous models across the tested architecture and task families. Our empirical claims are threefold: (1) one fixed UHN remains competitive with direct training across vision, graph, text, and formula-regression benchmarks; (2) the same UHN supports both multi-model generalization within a family and multi-task learning across heterogeneous models; and (3) UHN enables stable recursive generation with up to three intermediate generated UHNs before the final base model. Our code is available at https://github.com/Xuanfeng-Zhou/UHN.

AeroTherm-GPT: A Verification-Centered LLM Framework for Thermal Protection System Engineering Workflows

Integrating Large Language Models (LLMs) into hypersonic thermal protection system (TPS) design is bottlenecked by cascading constraint violations when generating executable simulation artifacts. General-purpose LLMs, treating generation as single-pass text completion, fail to satisfy the sequential, multi-gate constraints inherent in safety-critical engineering workflows. To address this, we propose AeroTherm-GPT, the first TPS-specialized LLM Agent, instantiated through a Constraint-Closed-Loop Generation (CCLG) framework. CCLG organizes TPS artifact generation as an iterative workflow comprising generation, validation, CDG-guided repair, execution, and audit. The Constraint Dependency Graph (CDG) encodes empirical co-resolution structure among constraint categories, directing repair toward upstream fault candidates based on lifecycle ordering priors and empirical co-resolution probabilities. This upstream-priority mechanism resolves multiple downstream violations per action, achieving a Root-Cause Fix Efficiency of 4.16 versus 1.76 for flat-checklist repair. Evaluated on HyTPS-Bench and validated against external benchmarks, AeroTherm-GPT achieves 88.7% End-to-End Success Rate (95% CI: 87.5-89.9), a gain of +12.5 pp over the matched non-CDG ablation baseline, without catastrophic forgetting on scientific reasoning and code generation tasks.

Hierarchical Discrete Flow Matching for Graph Generation

Denoising-based models, including diffusion and flow matching, have led to substantial advances in graph generation. Despite this progress, such models remain constrained by two fundamental limitations: a computational cost that scales quadratically with the number of nodes and a large number of function evaluations required during generation. In this work, we introduce a novel hierarchical generative framework that reduces the number of node pairs that must be evaluated and adopts discrete flow matching to significantly decrease the number of denoising iterations. We empirically demonstrate that our approach more effectively captures graph distributions while substantially reducing generation time.

ARCS: Autoregressive Circuit Synthesis with Topology-Aware Graph Attention and Spec Conditioning

This paper presents ARCS (Autoregressive Circuit Synthesis), a system for amortized analog circuit generation that produces complete, SPICE-simulatable designs (topology and component values) in milliseconds rather than the minutes required by search-based methods. A hybrid pipeline combining two learned generators (a graph VAE and a flow-matching model) with SPICE-based ranking achieves 99.9% simulation validity (reward 6.43/8.0) across 32 topologies using only 8 SPICE evaluations, 40x fewer than genetic algorithms. For single-model inference, a topology-aware Graph Transformer with Best-of-3 candidate selection reaches 85% simulation validity in 97ms, over 600x faster than random search. The key technical contribution adapts Group Relative Policy Optimization (GRPO) to multi-topology circuit reinforcement learning, resolving a critical failure mode of REINFORCE (cross-topology reward distribution mismatch) through per-topology advantage normalization. This improves simulation validity by +9.6 percentage points over REINFORCE in only 500 RL steps (10x fewer). Grammar-constrained decoding additionally guarantees 100% structural validity by construction via topology-aware token masking.

Bias mitigation in graph diffusion models

Most existing graph diffusion models have significant bias problems. We observe that the forward diffusion's maximum perturbation distribution in most models deviates from the standard Gaussian distribution, while reverse sampling consistently starts from a standard Gaussian distribution, which results in a reverse-starting bias. Together with the inherent exposure bias of diffusion models, this results in degraded generation quality. This paper proposes a comprehensive approach to mitigate both biases. To mitigate reverse-starting bias, we employ a newly designed Langevin sampling algorithm to align with the forward maximum perturbation distribution, establishing a new reverse-starting point. To address the exposure bias, we introduce a score correction mechanism based on a newly defined score difference. Our approach, which requires no network modifications, is validated across multiple models, datasets, and tasks, achieving state-of-the-art results.Code is at https://github.com/kunzhan/spp

ByteRover: Agent-Native Memory Through LLM-Curated Hierarchical Context

Memory-Augmented Generation (MAG) extends large language models with external memory to support long-context reasoning, but existing approaches universally treat memory as an external service that agents call into, delegating storage to separate pipelines of chunking, embedding, and graph extraction. This architectural separation means the system that stores knowledge does not understand it, leading to semantic drift between what the agent intended to remember and what the pipeline actually captured, loss of coordination context across agents, and fragile recovery after failures. In this paper, we propose ByteRover, an agent-native memory architecture that inverts the memory pipeline: the same LLM that reasons about a task also curates, structures, and retrieves knowledge. ByteRover represents knowledge in a hierarchical Context Tree, a file-based knowledge graph organized as Domain, Topic, Subtopic, and Entry, where each entry carries explicit relations, provenance, and an Adaptive Knowledge Lifecycle (AKL) with importance scoring, maturity tiers, and recency decay. Retrieval uses a 5-tier progressive strategy that resolves most queries at sub-100 ms latency without LLM calls, escalating to agentic reasoning only for novel questions. Experiments on LoCoMo and LongMemEval demonstrate that ByteRover achieves state-of-the-art accuracy on LoCoMo and competitive results on LongMemEval while requiring zero external infrastructure, no vector database, no graph database, no embedding service, with all knowledge stored as human-readable markdown files on the local filesystem.

Smoothing the Landscape: Causal Structure Learning via Diffusion Denoising Objectives

Understanding causal dependencies in observational data is critical for informing decision-making. These relationships are often modeled as Bayesian Networks (BNs) and Directed Acyclic Graphs (DAGs). Existing methods, such as NOTEARS and DAG-GNN, often face issues with scalability and stability in high-dimensional data, especially when there is a feature-sample imbalance. Here, we show that the denoising score matching objective of diffusion models could smooth the gradients for faster, more stable convergence. We also propose an adaptive k-hop acyclicity constraint that improves runtime over existing solutions that require matrix inversion. We name this framework Denoising Diffusion Causal Discovery (DDCD). Unlike generative diffusion models, DDCD utilizes the reverse denoising process to infer a parameterized causal structure rather than to generate data. We demonstrate the competitive performance of DDCDs on synthetic benchmarking data. We also show that our methods are practically useful by conducting qualitative analyses on two real-world examples. Code is available at this url: https://github.com/haozhu233/ddcd.